AG00E9DM

61160-18-7 | 3-(BENZYLOXY)-2-METHYL-4(1H)-PYRIDINONE

AG00E9DM

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CAS Number	61160-18-7
Catalog Number	AG00E9DM(AGN-PC-0KK1I5)
Chemical Name	3-(BENZYLOXY)-2-METHYL-4(1H)-PYRIDINONE
IUPAC Name	2-methyl-3-phenylmethoxy-1H-pyridin-4-one
InChI	InChI=1S/C13H13NO2/c1-10-13(12(15)7-8-14-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
InChI Key	WBKGCSWOAILTET-UHFFFAOYSA-N
MDL Number	MFCD00215656
Molecular Formula	C13H13NO2
Molecular Weight	215.2478
SMILES	O=C1C(OCC2=CC=CC=C2)=C(C)NC=C1
Synonyms	61160-18-7, 3-(Benzyloxy)-2-methylpyridin-4(1H)-one, 3-(benzyloxy)-2-methyl-4(1H)-pyridinone, 3-(Benzyloxy)-2-methylpyridin-4-ol, 150630-13-0, 2-methyl-3-phenylmethoxy-1H-pyridin-4-one, 3-Benzyloxy-2-methyl-1H-pyridin-4-one, 3-Benzyloxy-2-methyl-pyridin-4-ol, SMR000168542, MLS000328018, 3-(benzyloxy)-2-methyl-1,4-dihydropyridin-4-one, Maybridge1_005936, Bionet2_000969, AC1MBJ53, 4(1H)-Pyridinone, 2-methyl-3-(phenylmethoxy)-, Oprea1_007154, Oprea1_088617, SCHEMBL82673, 3-benzoxy-2-methyl-4-pyridone, CHEMBL1427984, BDBM55503, cid_2726416, CTK2F2659, HMS558F18, WBKGCSWOAILTET-UHFFFAOYSA-N, HMS1366M01, HMS2361I24, ALBB-030273, CCG-1843, KS-00000NB2, ZINC8670302, 6649AE, MFCD00215656, SBB095113, AKOS005070899, AKOS022172217, MCULE-7875745942, RP12465, 2-methyl-3-benzyloxypyridin-4(1h)-one, 2-methyl-3-benzyloxypyridine-4(1H)-one, 3-benzyloxy-2-methyl-1H-pyridine-4-one, AC-20599, AJ-57866, AK124165, 2-Methyl-3-(benzyloxy)pyridin-4(1H)-one, 3-(benzyloxy)-2-methyl-1H-pyridin-4-one, 4-Pyridinol, 2-methyl-3-(phenylmethoxy)-, DB-053801, 2-Methyl-3-(phenylmethoxy)-4(1H)-pyridone, CS-0061154, FT-0640729, 2-methyl-3-(phenylmethoxy)hydropyridin-4-one, 6K-060, Z-8511, Z-8512, 4(1H)-Pyridinone,2-methyl-3-(phenylmethoxy)-, J-510807, SR-01000633821-1, I14-26990, Z2327883795, benzyloxymethylpyridinone, C13H13NO2, 3- -2-METHYL-4 -PYRIDINONE, ACN-043949, CID2726416, 2-methoxy-4-nitro-1-(trifluoromethyl)benzene,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.252g/mol
Monoisotopic Mass	215.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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